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99860-35-2 | 6-(1-CHLOROETHYL)-N-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE
CAS No: 99860-35-2 Catalog No: AG003W6W MDL No:MFCD07850243
Product Description
Catalog Number:
AG003W6W
Chemical Name:
6-(1-CHLOROETHYL)-N-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE
CAS Number:
99860-35-2
Molecular Formula:
C11H12ClN5
Molecular Weight:
249.6995
MDL Number:
MFCD07850243
IUPAC Name:
6-(1-chloroethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H12ClN5/c1-7(12)9-15-10(13)17-11(16-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,17)
InChI Key:
HSOZFTGYXPQTLE-UHFFFAOYSA-N
SMILES:
Nc1nc(Nc2ccccc2)nc(n1)C(Cl)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.702g/mol
Monoisotopic Mass:
249.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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